NMRbox: A Resource for Biomolecular NMR Computation

Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of sof...

Full description

Saved in:

Bibliographic Details
Published in:	Biophysical journal Vol. 112; no. 8; p. 1529
Main Authors:	Maciejewski, Mark W, Schuyler, Adam D, Gryk, Michael R, Moraru, Ion I, Romero, Pedro R, Ulrich, Eldon L, Eghbalnia, Hamid R, Livny, Miron, Delaglio, Frank, Hoch, Jeffrey C
Format:	Journal Article
Language:	English
Published:	United States 25.04.2017
Subjects:	Access to Information Bayes Theorem Cloud Computing Internet Metadata Nuclear Magnetic Resonance, Biomolecular Software
ISSN:	1542-0086, 1542-0086
Online Access:	Get more information
Tags:	Add Tag No Tags, Be the first to tag this record!

Abstract	Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users.
AbstractList	Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users.Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users. Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users.
Author	Delaglio, Frank Romero, Pedro R Gryk, Michael R Maciejewski, Mark W Livny, Miron Eghbalnia, Hamid R Hoch, Jeffrey C Moraru, Ion I Ulrich, Eldon L Schuyler, Adam D
Author_xml	– sequence: 1 givenname: Mark W surname: Maciejewski fullname: Maciejewski, Mark W organization: Department of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut – sequence: 2 givenname: Adam D surname: Schuyler fullname: Schuyler, Adam D organization: Department of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut – sequence: 3 givenname: Michael R surname: Gryk fullname: Gryk, Michael R organization: Department of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut – sequence: 4 givenname: Ion I surname: Moraru fullname: Moraru, Ion I organization: Department of Cell Biology, UConn Health, Farmington, Connecticut – sequence: 5 givenname: Pedro R surname: Romero fullname: Romero, Pedro R organization: Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin – sequence: 6 givenname: Eldon L surname: Ulrich fullname: Ulrich, Eldon L organization: Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin – sequence: 7 givenname: Hamid R surname: Eghbalnia fullname: Eghbalnia, Hamid R organization: Department of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin – sequence: 8 givenname: Miron surname: Livny fullname: Livny, Miron organization: Computer Sciences Department, University of Wisconsin-Madison, Madison, Wisconsin – sequence: 9 givenname: Frank surname: Delaglio fullname: Delaglio, Frank organization: Institute for Bioscience and Biotechnology Research, National Institute of Standards and Technology and the University of Maryland, Rockville, Maryland – sequence: 10 givenname: Jeffrey C surname: Hoch fullname: Hoch, Jeffrey C email: hoch@uchc.edu organization: Department of Molecular Biology and Biophysics, UConn Health, Farmington, Connecticut. Electronic address: hoch@uchc.edu
BackLink	https://www.ncbi.nlm.nih.gov/pubmed/28445744$$D View this record in MEDLINE/PubMed
BookMark	eNpNz0tLxEAQBOBBVtyH_gAvkqOXxO7OTGbibV18waqweg8zSQeyJJmYB-i_V3EFT1WHj4JailnrWxbiHCFCwORqH7luHxGgjiCOAPFILFBJCgFMMvvX52I5DHsAJAV4IuZkpFRayoWIn592zn9cB-tgx4Of-pyD0vfBTeUbX3M-1bYPvk2w8U03jXasfHsqjktbD3x2yJV4vbt92zyE25f7x816G-ZSp2NYOEJQlLsEOE5TKbUqrTaAKqEc2aG1oF0hHZuSuChSY4hTKKkwuoxpJS5_V7vev088jFlTDTnXtW3ZT0OGJiVNSsEPvTjQyTVcZF1fNbb_zP5u0heURFUK
CitedBy_id	crossref_primary_10_1002_pro_5101 crossref_primary_10_1089_cmb_2020_0639 crossref_primary_10_1073_pnas_2117338119 crossref_primary_10_1016_j_jmr_2021_106995 crossref_primary_10_1016_j_str_2023_06_014 crossref_primary_10_1002_elps_201800428 crossref_primary_10_1002_chem_202403608 crossref_primary_10_1073_pnas_1903675116 crossref_primary_10_1038_s42004_024_01325_w crossref_primary_10_1038_sdata_2017_73 crossref_primary_10_1007_s10858_021_00366_w crossref_primary_10_1016_j_jmb_2025_169096 crossref_primary_10_3389_fmolb_2020_00112 crossref_primary_10_1002_mrc_5453 crossref_primary_10_1073_pnas_2315009121 crossref_primary_10_1007_s12104_022_10112_4 crossref_primary_10_1371_journal_ppat_1010573 crossref_primary_10_1016_j_jbc_2024_108149 crossref_primary_10_1002_anie_202112232 crossref_primary_10_7554_eLife_75531 crossref_primary_10_1080_07391102_2024_2440647 crossref_primary_10_1016_j_jmr_2022_107336 crossref_primary_10_1038_s42003_023_05112_6 crossref_primary_10_1002_pro_4128 crossref_primary_10_1016_j_jmr_2022_107335 crossref_primary_10_1016_j_jmb_2022_167871 crossref_primary_10_1038_s41467_024_46832_5 crossref_primary_10_1016_j_str_2021_06_007 crossref_primary_10_1021_jacs_2c00007 crossref_primary_10_1093_nar_gkac040 crossref_primary_10_1093_nar_gkad490 crossref_primary_10_1007_s10858_019_00263_3 crossref_primary_10_1073_pnas_2008577117 crossref_primary_10_1002_prot_26594 crossref_primary_10_1007_s10858_018_0182_5 crossref_primary_10_1101_gad_350461_123 crossref_primary_10_1016_j_pnmrs_2019_09_003 crossref_primary_10_3390_biom13010158 crossref_primary_10_1002_ange_202501589 crossref_primary_10_1016_j_ymeth_2018_03_001 crossref_primary_10_1007_s12104_023_10128_4 crossref_primary_10_1073_pnas_1915010117 crossref_primary_10_3390_ijms20010139 crossref_primary_10_1016_j_jmb_2025_169302 crossref_primary_10_1007_s12104_022_10086_3 crossref_primary_10_3389_fmicb_2023_1199085 crossref_primary_10_1016_j_trac_2023_117478 crossref_primary_10_1073_pnas_2409030121 crossref_primary_10_1038_s41467_024_48997_5 crossref_primary_10_3390_ijms24097835 crossref_primary_10_1038_s42003_025_08003_0 crossref_primary_10_1002_pep2_24293 crossref_primary_10_3390_membranes13030365 crossref_primary_10_1038_s41586_023_06832_9 crossref_primary_10_1093_molbev_msac194 crossref_primary_10_1002_prot_25836 crossref_primary_10_1002_anie_202501589 crossref_primary_10_3390_molecules25215128 crossref_primary_10_1016_j_jmb_2020_01_001 crossref_primary_10_3389_fmolb_2023_1150400 crossref_primary_10_1016_j_jmr_2019_01_014 crossref_primary_10_1063_5_0174955 crossref_primary_10_1007_s10858_018_0220_3 crossref_primary_10_1007_s10858_025_00471_0 crossref_primary_10_1007_s12104_022_10097_0 crossref_primary_10_1016_j_jmb_2022_167531 crossref_primary_10_1038_s41467_024_53904_z crossref_primary_10_1038_s42003_024_06558_y crossref_primary_10_1139_bcb_2022_0338 crossref_primary_10_1080_07391102_2022_2157328 crossref_primary_10_3390_membranes11080570 crossref_primary_10_1016_j_jmb_2020_08_005 crossref_primary_10_1016_j_jmr_2023_107600 crossref_primary_10_1007_s10858_019_00262_4 crossref_primary_10_1016_j_bpj_2023_06_016 crossref_primary_10_1038_s41598_020_70034_w crossref_primary_10_4049_jimmunol_2200949 crossref_primary_10_1021_jacs_3c02193 crossref_primary_10_1016_j_jbc_2022_102620 crossref_primary_10_1111_febs_15253 crossref_primary_10_1080_07391102_2021_1936179 crossref_primary_10_3389_fmolb_2021_817175 crossref_primary_10_1002_pro_70127 crossref_primary_10_1093_nar_gkab1040 crossref_primary_10_1515_chem_2024_0090 crossref_primary_10_1007_s12104_021_10015_w crossref_primary_10_1007_s10858_019_00235_7 crossref_primary_10_1080_07391102_2021_1967196 crossref_primary_10_3389_fmolb_2024_1347741 crossref_primary_10_3390_biom14091108 crossref_primary_10_1016_j_str_2022_03_006 crossref_primary_10_1007_s12104_020_09952_9 crossref_primary_10_3390_biom15030453 crossref_primary_10_1073_pnas_2313835120 crossref_primary_10_1016_j_ijbiomac_2023_128078 crossref_primary_10_5194_mr_2_777_2021 crossref_primary_10_1002_pro_4321 crossref_primary_10_1002_pro_70013 crossref_primary_10_1021_jacs_3c01200 crossref_primary_10_1002_pro_3591 crossref_primary_10_1016_j_jmr_2019_106671 crossref_primary_10_1038_s41598_024_76548_x crossref_primary_10_3390_biom15081091 crossref_primary_10_1007_s12104_023_10148_0 crossref_primary_10_1128_JVI_00007_19 crossref_primary_10_1002_mrc_5540 crossref_primary_10_1080_07391102_2022_2071340 crossref_primary_10_1016_j_jmr_2021_106937 crossref_primary_10_1038_s44321_024_00143_w crossref_primary_10_3390_molecules30010011 crossref_primary_10_1016_j_jbc_2023_105380 crossref_primary_10_3390_metabo12080678 crossref_primary_10_1016_j_jmr_2024_107792 crossref_primary_10_1016_j_dib_2020_106680 crossref_primary_10_1080_03602532_2022_2125987 crossref_primary_10_1038_s43705_023_00244_6 crossref_primary_10_1194_jlr_RA120000951 crossref_primary_10_1007_s12104_025_10226_5 crossref_primary_10_1093_nar_gkaf685 crossref_primary_10_1016_j_jbc_2021_101545 crossref_primary_10_1016_j_jmb_2022_167691 crossref_primary_10_1016_j_ssnmr_2022_101849 crossref_primary_10_1016_j_xphs_2021_06_027 crossref_primary_10_1007_s12104_023_10138_2 crossref_primary_10_7554_eLife_85039 crossref_primary_10_1038_s42003_020_01332_2 crossref_primary_10_1016_j_bpj_2019_08_038 crossref_primary_10_1007_s12104_024_10197_z crossref_primary_10_56530_spectroscopy_yx1073b8 crossref_primary_10_1021_acs_jmedchem_5c00134 crossref_primary_10_1007_s12104_024_10184_4 crossref_primary_10_1016_j_jmr_2023_107489 crossref_primary_10_1002_mrc_5529 crossref_primary_10_1021_acs_jpcb_4c08772 crossref_primary_10_1002_ange_202112232 crossref_primary_10_1093_nar_gkac1050 crossref_primary_10_1007_s10858_025_00467_w crossref_primary_10_1016_j_ijbiomac_2023_126366 crossref_primary_10_1002_ijch_201900058 crossref_primary_10_1002_cbdv_202300961 crossref_primary_10_3390_ijms22010058 crossref_primary_10_1002_mrc_5060 crossref_primary_10_1016_j_jmr_2017_03_017 crossref_primary_10_3389_fcell_2023_1259844 crossref_primary_10_1007_s10858_023_00415_6 crossref_primary_10_1016_j_bbamem_2025_184428 crossref_primary_10_1038_s41598_023_30045_9 crossref_primary_10_1093_nar_gkac1206 crossref_primary_10_1038_s41467_022_28556_6 crossref_primary_10_2174_0929867326666190610160534 crossref_primary_10_1016_j_jmr_2023_107458 crossref_primary_10_15252_embr_202255056 crossref_primary_10_1002_pro_70172 crossref_primary_10_1016_j_jinorgbio_2019_110824 crossref_primary_10_1007_s10858_021_00369_7 crossref_primary_10_1016_j_jbc_2024_107903 crossref_primary_10_1038_s43586_024_00326_2 crossref_primary_10_1016_j_jbc_2023_105574 crossref_primary_10_1002_mrc_5072 crossref_primary_10_1002_slct_202201728 crossref_primary_10_1007_s00018_023_04936_z crossref_primary_10_1007_s10858_020_00332_y crossref_primary_10_1007_s12104_022_10079_2 crossref_primary_10_1016_j_bcp_2022_115284 crossref_primary_10_1007_s12104_021_10027_6 crossref_primary_10_3390_ijms26052166 crossref_primary_10_1007_s12104_025_10216_7 crossref_primary_10_1016_j_compbiolchem_2025_108446 crossref_primary_10_1016_j_jbc_2023_105336 crossref_primary_10_1016_j_molcel_2022_02_005 crossref_primary_10_1016_j_pnmrs_2025_101564 crossref_primary_10_1002_cmr_a_21438 crossref_primary_10_1016_j_bbapap_2023_140952 crossref_primary_10_3390_antiox11071236 crossref_primary_10_1016_j_jsb_2021_107773 crossref_primary_10_1016_j_jbc_2024_107564 crossref_primary_10_1016_j_molstruc_2022_132476 crossref_primary_10_1021_jacs_4c17030 crossref_primary_10_3390_v13030442 crossref_primary_10_3390_biom10111531 crossref_primary_10_1002_pro_4755 crossref_primary_10_1007_s12104_021_10043_6 crossref_primary_10_1016_j_jmb_2023_167966 crossref_primary_10_1016_j_jmr_2022_107268 crossref_primary_10_1093_glycob_cwac071 crossref_primary_10_3390_biom12101391 crossref_primary_10_1016_j_chembiol_2022_01_004 crossref_primary_10_1016_j_jmb_2021_167407 crossref_primary_10_1038_s41467_024_47659_w crossref_primary_10_1007_s12104_019_09894_x crossref_primary_10_1016_j_biochi_2022_08_013 crossref_primary_10_3390_ijms24043973 crossref_primary_10_2217_fvl_2023_0048 crossref_primary_10_1038_s41588_022_01212_x crossref_primary_10_1016_j_ijbiomac_2022_01_121 crossref_primary_10_1093_nar_gkad1159 crossref_primary_10_1016_j_jmr_2025_107919 crossref_primary_10_1007_s12104_022_10115_1 crossref_primary_10_1007_s12104_022_10093_4 crossref_primary_10_1002_pro_4066 crossref_primary_10_1021_jacs_1c12056 crossref_primary_10_1016_j_molstruc_2022_132369 crossref_primary_10_1038_s41467_024_50719_w crossref_primary_10_1007_s12104_021_10054_3 crossref_primary_10_1021_jacs_5c02057 crossref_primary_10_1007_s12104_024_10199_x crossref_primary_10_1016_j_bbapap_2024_141050 crossref_primary_10_1073_pnas_2310910120 crossref_primary_10_1016_j_ymeth_2018_06_010 crossref_primary_10_1038_s41467_023_37219_z crossref_primary_10_1016_j_str_2021_07_011 crossref_primary_10_1002_pro_4181 crossref_primary_10_1093_brain_awad258 crossref_primary_10_1038_s41589_023_01319_0 crossref_primary_10_1007_s10858_025_00465_y crossref_primary_10_1007_s12104_020_09988_x crossref_primary_10_1007_s12104_023_10162_2 crossref_primary_10_1016_j_foodhyd_2020_105768 crossref_primary_10_1016_j_jbc_2024_107146 crossref_primary_10_3390_membranes11110799 crossref_primary_10_3390_metabo15090612 crossref_primary_10_1016_j_jsb_2023_108008 crossref_primary_10_1016_j_xpro_2025_103952 crossref_primary_10_1016_j_ymeth_2023_12_008 crossref_primary_10_1038_s41594_023_01070_z crossref_primary_10_1016_j_bmc_2020_115711 crossref_primary_10_1038_s41594_019_0371_2 crossref_primary_10_1007_s12104_021_10044_5 crossref_primary_10_1007_s12104_021_10018_7 crossref_primary_10_1002_pro_5149 crossref_primary_10_3389_fmolb_2021_772855 crossref_primary_10_1007_s12104_022_10081_8 crossref_primary_10_1016_j_jmb_2020_166733 crossref_primary_10_1007_s12104_024_10177_3 crossref_primary_10_1016_j_jbc_2022_102659 crossref_primary_10_1038_s42003_022_03411_y crossref_primary_10_1080_07391102_2022_2045222 crossref_primary_10_1016_j_jmr_2017_10_005 crossref_primary_10_3390_molecules28237855 crossref_primary_10_1007_s11306_024_02090_6 crossref_primary_10_1093_nar_gkaf502 crossref_primary_10_1002_biof_2145 crossref_primary_10_1007_s00775_024_02053_1 crossref_primary_10_1016_j_bpj_2021_04_017 crossref_primary_10_1038_s41594_020_00536_8 crossref_primary_10_1002_pro_70097 crossref_primary_10_1016_j_bbamem_2022_183891 crossref_primary_10_1126_sciadv_adx1788 crossref_primary_10_1007_s00249_022_01598_w crossref_primary_10_1007_s10858_023_00421_8 crossref_primary_10_1093_stmcls_sxad039 crossref_primary_10_1016_j_jmb_2020_02_003 crossref_primary_10_1016_j_jmb_2023_168340 crossref_primary_10_1002_pro_4282 crossref_primary_10_1007_s12104_023_10133_7 crossref_primary_10_1016_j_bbamcr_2022_119319 crossref_primary_10_1016_j_jmb_2022_167710 crossref_primary_10_1016_j_jmro_2025_100187 crossref_primary_10_1007_s10858_019_00293_x crossref_primary_10_1007_s11306_024_02208_w crossref_primary_10_5194_mr_2_843_2021 crossref_primary_10_1021_jacs_1c04010 crossref_primary_10_1016_j_jsb_2024_108082 crossref_primary_10_1016_j_bpc_2022_106928 crossref_primary_10_1038_s42003_024_06770_w crossref_primary_10_1074_jbc_RA119_010232 crossref_primary_10_1038_s41467_020_20468_7 crossref_primary_10_1016_j_molliq_2021_116105 crossref_primary_10_1016_j_jmb_2025_169348 crossref_primary_10_1038_s41467_022_35678_4 crossref_primary_10_1080_07391102_2021_2015446 crossref_primary_10_1080_07391102_2022_2119278 crossref_primary_10_1016_j_jmr_2022_107228 crossref_primary_10_1016_j_immuni_2024_04_015 crossref_primary_10_1038_s41467_025_60843_w crossref_primary_10_1016_j_cell_2022_04_011 crossref_primary_10_1016_j_jmr_2022_107342 crossref_primary_10_1002_pro_4950 crossref_primary_10_1007_s10858_019_00287_9 crossref_primary_10_1007_s12104_023_10156_0 crossref_primary_10_1007_s10858_019_00231_x crossref_primary_10_1016_j_jbc_2023_105303 crossref_primary_10_1002_pro_4390 crossref_primary_10_1007_s12104_024_10191_5 crossref_primary_10_1007_s12104_024_10202_5 crossref_primary_10_1093_nar_gkae870 crossref_primary_10_1038_s41467_022_35375_2 crossref_primary_10_1021_acs_biochem_4c00485 crossref_primary_10_1109_TIM_2024_3415787 crossref_primary_10_3389_fmolb_2022_763750 crossref_primary_10_1007_s12104_021_10056_1 crossref_primary_10_1038_s41467_022_35277_3 crossref_primary_10_1016_j_ijbiomac_2021_05_071 crossref_primary_10_1096_fj_202402975 crossref_primary_10_1038_sdata_2019_23 crossref_primary_10_1016_j_jbc_2023_105553 crossref_primary_10_1016_j_bbamem_2023_184233 crossref_primary_10_1016_j_xpro_2025_103988
ContentType	Journal Article
Copyright	Copyright © 2017 Biophysical Society. All rights reserved.
Copyright_xml	– notice: Copyright © 2017 Biophysical Society. All rights reserved.
DBID	CGR CUY CVF ECM EIF NPM 7X8
DOI	10.1016/j.bpj.2017.03.011
DatabaseName	Medline MEDLINE MEDLINE (Ovid) MEDLINE MEDLINE PubMed MEDLINE - Academic
DatabaseTitle	MEDLINE Medline Complete MEDLINE with Full Text PubMed MEDLINE (Ovid) MEDLINE - Academic
DatabaseTitleList	MEDLINE - Academic MEDLINE
Database_xml	– sequence: 1 dbid: NPM name: PubMed url: http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed sourceTypes: Index Database – sequence: 2 dbid: 7X8 name: MEDLINE - Academic url: https://search.proquest.com/medline sourceTypes: Aggregation Database
DeliveryMethod	no_fulltext_linktorsrc
Discipline	Biology
EISSN	1542-0086
ExternalDocumentID	28445744
Genre	Journal Article
GroupedDBID	--- -DZ -~X .55 0R~ 0SF 23N 2WC 4.4 457 5GY 5RE 62- 6I. 6J9 AACTN AAEDT AAEDW AAFTH AAKRW AALRI AAMRU AAVLU AAXUO ABJNI ABMAC ABVKL ACBEA ACGFO ACGFS ACGOD ACIWK ACNCT ACPRK ADBBV ADEZE ADVLN AENEX AEXQZ AFRAH AFTJW AGKMS AHMBA AITUG AKAPO AKRWK ALIPV ALMA_UNASSIGNED_HOLDINGS AMRAJ AOIJS AYCSE AZFZN BAWUL CGR CS3 CUY CVF D0L DIK DU5 E3Z EBS ECM EIF EJD F5P FCP FDB FRP HYE IH2 IXB JIG KQ8 L7B M41 N9A NCXOZ NPM O-L O9- OK1 P2P RCE RIG RNS ROL RPM RWL SES SSZ TAE TBP TN5 WH7 WOQ WOW X7M YNY YWH ~02 7X8 ABDGV ACVFH ADCNI AEUPX AFPUW AIGII AKBMS AKYEP APXCP EFKBS
ID	FETCH-LOGICAL-c479t-db21052cb60e3994475fa7801562c1eb1aa07bd4be8f2edd9882e90f2d87f32
IEDL.DBID	7X8
ISICitedReferencesCount	358
ISICitedReferencesURI	http://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=Summon&SrcAuth=ProQuest&DestLinkType=CitingArticles&DestApp=WOS_CPL&KeyUT=000400505800001&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D
ISSN	1542-0086
IngestDate	Mon Sep 29 05:42:27 EDT 2025 Wed Feb 19 02:43:08 EST 2025
IsDoiOpenAccess	false
IsOpenAccess	true
IsPeerReviewed	true
IsScholarly	true
Issue	8
Language	English
License	Copyright © 2017 Biophysical Society. All rights reserved.
LinkModel	DirectLink
MergedId	FETCHMERGED-LOGICAL-c479t-db21052cb60e3994475fa7801562c1eb1aa07bd4be8f2edd9882e90f2d87f32
Notes	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
OpenAccessLink	https://dx.doi.org/10.1016/j.bpj.2017.03.011
PMID	28445744
PQID	1892725503
PQPubID	23479
ParticipantIDs	proquest_miscellaneous_1892725503 pubmed_primary_28445744
PublicationCentury	2000
PublicationDate	2017-04-25
PublicationDateYYYYMMDD	2017-04-25
PublicationDate_xml	– month: 04 year: 2017 text: 2017-04-25 day: 25
PublicationDecade	2010
PublicationPlace	United States
PublicationPlace_xml	– name: United States
PublicationTitle	Biophysical journal
PublicationTitleAlternate	Biophys J
PublicationYear	2017
References	22700313 - Curr Protoc Bioinformatics. 2012 Jun;Chapter 11:Unit11.9 25505092 - Bioinformatics. 2015 Apr 15;31(8):1325-7 21448735 - J Biomol NMR. 2011 May;50(1):43-57 27663422 - J Biomol NMR. 2016 Oct;66(2):111-124 27023095 - J Biomol NMR. 2016 Apr;64(4):307-32 15815974 - Proteins. 2005 Jun 1;59(4):687-96 26253947 - J Biomol NMR. 2015 Oct;63(2):141-50 2811688 - Methods Enzymol. 1989;176:216-41 18326625 - Proc Natl Acad Sci U S A. 2008 Mar 25;105(12):4685-90 20538873 - Biostatistics. 2010 Jul;11(3):385-8 26066803 - J Biomol NMR. 2015 Jul;62(3):313-26 25456315 - Prog Nucl Magn Reson Spectrosc. 2014 Nov;83:21-41 22144613 - Science. 2011 Dec 2;334(6060):1226-7 26365800 - Structure. 2015 Oct 6;23 (10 ):1958-66 19282963 - PLoS Comput Biol. 2009 Mar;5(3):e1000307 24573470 - Methods Mol Biol. 2014;1137:1-15 27940837 - Science. 2016 Dec 9;354(6317):1240-1241 17984079 - Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8 25982706 - J Biomol NMR. 2015 Aug;62(4):497-502 24040512 - Elife. 2013 Sep 10;2:e01456 8520220 - J Biomol NMR. 1995 Nov;6(3):277-93 21757462 - Bioinformatics. 2011 Sep 1;27(17):2384-90
References_xml	– reference: 8520220 - J Biomol NMR. 1995 Nov;6(3):277-93 – reference: 21448735 - J Biomol NMR. 2011 May;50(1):43-57 – reference: 22700313 - Curr Protoc Bioinformatics. 2012 Jun;Chapter 11:Unit11.9 – reference: 27663422 - J Biomol NMR. 2016 Oct;66(2):111-124 – reference: 27023095 - J Biomol NMR. 2016 Apr;64(4):307-32 – reference: 24573470 - Methods Mol Biol. 2014;1137:1-15 – reference: 25505092 - Bioinformatics. 2015 Apr 15;31(8):1325-7 – reference: 25982706 - J Biomol NMR. 2015 Aug;62(4):497-502 – reference: 26253947 - J Biomol NMR. 2015 Oct;63(2):141-50 – reference: 15815974 - Proteins. 2005 Jun 1;59(4):687-96 – reference: 24040512 - Elife. 2013 Sep 10;2:e01456 – reference: 2811688 - Methods Enzymol. 1989;176:216-41 – reference: 20538873 - Biostatistics. 2010 Jul;11(3):385-8 – reference: 27940837 - Science. 2016 Dec 9;354(6317):1240-1241 – reference: 17984079 - Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8 – reference: 25456315 - Prog Nucl Magn Reson Spectrosc. 2014 Nov;83:21-41 – reference: 19282963 - PLoS Comput Biol. 2009 Mar;5(3):e1000307 – reference: 21757462 - Bioinformatics. 2011 Sep 1;27(17):2384-90 – reference: 26365800 - Structure. 2015 Oct 6;23 (10 ):1958-66 – reference: 26066803 - J Biomol NMR. 2015 Jul;62(3):313-26 – reference: 18326625 - Proc Natl Acad Sci U S A. 2008 Mar 25;105(12):4685-90 – reference: 22144613 - Science. 2011 Dec 2;334(6060):1226-7
SSID	ssj0012501
Score	2.656003
Snippet	Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the...
SourceID	proquest pubmed
SourceType	Aggregation Database Index Database
StartPage	1529
SubjectTerms	Access to Information Bayes Theorem Cloud Computing Internet Metadata Nuclear Magnetic Resonance, Biomolecular Software
Title	NMRbox: A Resource for Biomolecular NMR Computation
URI	https://www.ncbi.nlm.nih.gov/pubmed/28445744 https://www.proquest.com/docview/1892725503
Volume	112
WOSCitedRecordID	wos000400505800001&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D
hasFullText
inHoldings	1
isFullTextHit
isPrint
link	http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwpV1LS8QwEB7UVfDi-7G-iOA12KbppvEiIi5etizqYW-leYGC7equov_eSdqyJ0Hw0lMKZSaZ-TrfZD6Ai9iIVEqdUJGoAeWxS2lmjaTalbFmiuFZd0FsQuR5NpnIcVtwm7VtlV1MDIHa1NrXyC_jTDKB-DdKrqdv1KtGeXa1ldBYhl6CUMa3dInJgkXA9N7MS-WMeuzesZqhv0tNX3xnlwgzTuP4d4QZMs1w87_fuAUbLcYkN82m2IYlW-3AWqM6-b0LST56UPXXFbkhXfGeIHQluOC1E8sluIY0ig_BdXvwOLx7ur2nrXYC1VzIOTUK_-VSptUgsohB_Fg_V4rMX5xmOsYAXZaRUIYrmzlmjZGItK2MHDOZcAnbh5WqruwhEHRYyozKtKd-rR8vrzHna5YoJl3qWB_OO1sUuDM93VBWtv6YFQtr9OGgMWgxbUZoFJgUeSo4P_rD28ew7v3kKRyWnkDP4bm0p7CqP-fPs_ez4HJ85uPRD_FRtD4
linkProvider	ProQuest
openUrl	ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=NMRbox%3A+A+Resource+for+Biomolecular+NMR+Computation&rft.jtitle=Biophysical+journal&rft.au=Maciejewski%2C+Mark+W&rft.au=Schuyler%2C+Adam+D&rft.au=Gryk%2C+Michael+R&rft.au=Moraru%2C+Ion+I&rft.date=2017-04-25&rft.eissn=1542-0086&rft.volume=112&rft.issue=8&rft.spage=1529&rft_id=info:doi/10.1016%2Fj.bpj.2017.03.011&rft_id=info%3Apmid%2F28445744&rft_id=info%3Apmid%2F28445744&rft.externalDocID=28445744
thumbnail_l	http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=1542-0086&client=summon
thumbnail_m	http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=1542-0086&client=summon
thumbnail_s	http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=1542-0086&client=summon